EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138703 - HP_dp08_0003

ChEBI IDCHEBI:138703
ChEBI NameHP_dp08_0003
Stars
DefinitionA heparin octasaccharide consisting of 4-deoxy-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-2-O-sulfo-D-xylo-hexopyranuronosyl, 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl, (5ξ)-D-xylo-hexopyranuronosyl, and 2-deoxy-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DHexA-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA(2SO4)-GlcNSO3-HexA-GlcNSO3.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC48H76N4O58S6
Net Charge0
Average Mass1829.508
Monoisotopic Mass1828.14447
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@@H]3C(C(=O)O)OC(O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@@H]5C(C(=O)O)OC(O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@@H]7C(C(=O)O)OC(O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]8CO)[C@H](O)[C@H]7O)O[C@@H]6CO)[C@H](OS(=O)(=O)O)[C@H]5O)O[C@@H]4CO)[C@H](OS(=O)(=O)O)[C@H]3O)O[C@@H]2CO)O1
InChIInChI=1S/C48H76N4O58S6/c53-2-8-25(17(59)12(41(75)94-8)49-111(76,77)78)100-46-22(64)21(63)29(34(106-46)38(69)70)103-42-14(51-113(82,83)84)19(61)27(10(4-55)97-42)101-47-33(110-116(91,92)93)24(66)31(36(108-47)40(73)74)105-44-15(52-114(85,86)87)20(62)28(11(5-56)98-44)102-48-32(109-115(88,89)90)23(65)30(35(107-48)39(71)72)104-43-13(50-112(79,80)81)18(60)26(9(3-54)96-43)99-45-16(58)6(57)1-7(95-45)37(67)68/h1,6,8-36,41-66,75H,2-5H2,(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)/t6-,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34?,35?,36?,41-,42+,43+,44+,45-,46?,47?,48?/m0/s1
InChIKeyOOZXPAKOQWQMAX-UQCQPJIZSA-N
ChEBI Ontology
Outgoing Relation(s)
HP_dp08_0003 (CHEBI:138703) is a amino octasaccharide (CHEBI:71060)
HP_dp08_0003 (CHEBI:138703) is a heparin octasaccharide (CHEBI:132215)
HP_dp08_0003 (CHEBI:138703) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
4-deoxy-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-(5ξ)-2-O-sulfo-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-(5ξ)-2-O-sulfo-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-(5ξ)-D-xylo-hexopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranose
Synonyms  Source
alpha-delta4,5-HexA-(1-4)-alpha-D-GlcpNS-(1-4)-HexA(2S)-(1-4)-alpha-D-GlcpNS-(1-4)-HexA(2S)-(1-4)-alpha-D-GlcpNS-(1-4)-HexA-(1-4)-alpha-D-GlcpNSIUPAC
2S-2SUBMITTER
Manual XrefsDatabases
G60882FWGlyTouCan
Citations